N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine

C17H32N4 — CID 106616724

IUPACN-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(Cc1ccn(C(C)CC)n1)CC1CCCN1
InChIInChI=1S/C17H32N4/c1-4-6-11-20(13-16-8-7-10-18-16)14-17-9-12-21(19-17)15(3)5-2/h9,12,15-16,18H,4-8,10-11,13-14H2,1-3H3
InChIKeyIWULTSDOFQVMIP-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.21
Rot. Bonds9

About N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine (PubChem CID 106616724) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
PubChem CID106616724
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(Cc1ccn(C(C)CC)n1)CC1CCCN1
InChIInChI=1S/C17H32N4/c1-4-6-11-20(13-16-8-7-10-18-16)14-17-9-12-21(19-17)15(3)5-2/h9,12,15-16,18H,4-8,10-11,13-14H2,1-3H3
InChIKeyIWULTSDOFQVMIP-UHFFFAOYSA-N
XLogP3.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618052
2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine
CID 64778907
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604987
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604750
N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604779
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616966
4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106604712
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 112755518
N-[(2-methoxy-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616975
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632392
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616967

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine (CID 106616724) is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine is CCCCN(Cc1ccn(C(C)CC)n1)CC1CCCN1.
What is the InChIKey of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The InChIKey is IWULTSDOFQVMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-4-6-11-20(13-16-8-7-10-18-16)14-17-9-12-21(19-17)15(3)5-2/h9,12,15-16,18H,4-8,10-11,13-14H2,1-3H3.
What are the key properties of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 106616724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).