(2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-methylbutanamide

C18H33N5O — CID 94825150

IUPAC(2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-methylbutanamide
SMILESCc1nn(C)c(N(C)C)c1CN[C@H](C(=O)NC1CCCC1)C(C)C
InChIInChI=1S/C18H33N5O/c1-12(2)16(17(24)20-14-9-7-8-10-14)19-11-15-13(3)21-23(6)18(15)22(4)5/h12,14,16,19H,7-11H2,1-6H3,(H,20,24)/t16-/m0/s1
InChIKeyMIWZWGKZJQGBHD-INIZCTEOSA-N
MW335.50 g/mol
LogP1.97
Rot. Bonds7

About (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-methylbutanamide

(2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-methylbutanamide (PubChem CID 94825150) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-methylbutanamide
PubChem CID94825150
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC Name(2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-methylbutanamide
SMILESCc1nn(C)c(N(C)C)c1CN[C@H](C(=O)NC1CCCC1)C(C)C
InChIInChI=1S/C18H33N5O/c1-12(2)16(17(24)20-14-9-7-8-10-14)19-11-15-13(3)21-23(6)18(15)22(4)5/h12,14,16,19H,7-11H2,1-6H3,(H,20,24)/t16-/m0/s1
InChIKeyMIWZWGKZJQGBHD-INIZCTEOSA-N
XLogP1.97
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-(Dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]azepan-2-one
CID 51104975
3-[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]azepan-2-one
CID 51104977
1-[4-[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 51104980
N-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide
CID 51105188
N-cyclohexyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 51105189
N-cyclopentyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide
CID 51105239
N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 51105240
4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N-methylbutanamide
CID 53539239
4-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-N-methylbutanamide
CID 53539334
N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 53540365
N-[[1,3-dimethyl-5-(4-methyl-1,4-diazepan-1-yl)pyrazol-4-yl]methyl]-4-methylpentanamide
CID 53540973
N-[[1,3-dimethyl-5-(4-methyl-1,4-diazepan-1-yl)pyrazol-4-yl]methyl]-3,3-dimethylbutanamide
CID 53541117

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-methylbutanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-methylbutanamide (CID 94825150) is (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-methylbutanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-methylbutanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-methylbutanamide is Cc1nn(C)c(N(C)C)c1CN[C@H](C(=O)NC1CCCC1)C(C)C.
What is the InChIKey of (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-methylbutanamide?
The InChIKey is MIWZWGKZJQGBHD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H33N5O/c1-12(2)16(17(24)20-14-9-7-8-10-14)19-11-15-13(3)21-23(6)18(15)22(4)5/h12,14,16,19H,7-11H2,1-6H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-methylbutanamide?
(2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-methylbutanamide has a molecular weight of 335.50 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-3-methylbutanamide is sourced from PubChem (CID 94825150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).