1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C15H29N5O — CID 66054396

IUPAC1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCCC(N)C(c1cnn(C)c1)N1CC(O)CC1CN(C)C
InChIInChI=1S/C15H29N5O/c1-5-14(16)15(11-7-17-19(4)8-11)20-10-13(21)6-12(20)9-18(2)3/h7-8,12-15,21H,5-6,9-10,16H2,1-4H3
InChIKeyBVGKKTNSCFQVQQ-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.20
Rot. Bonds6

About 1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66054396) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66054396
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCCC(N)C(c1cnn(C)c1)N1CC(O)CC1CN(C)C
InChIInChI=1S/C15H29N5O/c1-5-14(16)15(11-7-17-19(4)8-11)20-10-13(21)6-12(20)9-18(2)3/h7-8,12-15,21H,5-6,9-10,16H2,1-4H3
InChIKeyBVGKKTNSCFQVQQ-UHFFFAOYSA-N
XLogP0.20
TPSA70.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(1-methylpyrazol-4-yl)butan-2-amine
CID 102725549
1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine
CID 63171805
4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione
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CID 81205355
1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol
CID 62333824
5-[(dimethylamino)methyl]-1-pentan-2-ylpyrrolidin-3-ol
CID 107886038
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanoic acid
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1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-(1-methylsulfanylpropan-2-yl)butane-1,2-diamine
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1-N-methyl-1-(1-methylpyrazol-4-yl)-1-N-[(1-methylpyrrolidin-2-yl)methyl]butane-1,2-diamine
CID 79304553
1-amino-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 82412738
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66054396) is 1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CCC(N)C(c1cnn(C)c1)N1CC(O)CC1CN(C)C.
What is the InChIKey of 1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is BVGKKTNSCFQVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-5-14(16)15(11-7-17-19(4)8-11)20-10-13(21)6-12(20)9-18(2)3/h7-8,12-15,21H,5-6,9-10,16H2,1-4H3.
What are the key properties of 1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 295.43 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66054396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).