N,N,1,3-tetramethyl-4-[[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]pyrazol-5-amine

C17H26N4O — CID 94823229

IUPACN,N,1,3-tetramethyl-4-[[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCc1ccc([C@@H]2C[C@@H]2C)o1
InChIInChI=1S/C17H26N4O/c1-11-8-14(11)16-7-6-13(22-16)9-18-10-15-12(2)19-21(5)17(15)20(3)4/h6-7,11,14,18H,8-10H2,1-5H3/t11-,14+/m0/s1
InChIKeyWVKFLIZZYBWUEQ-SMDDNHRTSA-N
MW302.42 g/mol
LogP2.80
Rot. Bonds6

About N,N,1,3-tetramethyl-4-[[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]pyrazol-5-amine

N,N,1,3-tetramethyl-4-[[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]pyrazol-5-amine (PubChem CID 94823229) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N,N,1,3-tetramethyl-4-[[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]pyrazol-5-amine.

Molecular Properties

Compound NameN,N,1,3-tetramethyl-4-[[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]pyrazol-5-amine
PubChem CID94823229
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN,N,1,3-tetramethyl-4-[[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNCc1ccc([C@@H]2C[C@@H]2C)o1
InChIInChI=1S/C17H26N4O/c1-11-8-14(11)16-7-6-13(22-16)9-18-10-15-12(2)19-21(5)17(15)20(3)4/h6-7,11,14,18H,8-10H2,1-5H3/t11-,14+/m0/s1
InChIKeyWVKFLIZZYBWUEQ-SMDDNHRTSA-N
XLogP2.80
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,1,3-tetramethyl-4-[[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]pyrazol-5-amine?
The IUPAC name of N,N,1,3-tetramethyl-4-[[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]pyrazol-5-amine (CID 94823229) is N,N,1,3-tetramethyl-4-[[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]pyrazol-5-amine.
What is the SMILES notation for N,N,1,3-tetramethyl-4-[[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]pyrazol-5-amine?
The canonical SMILES for N,N,1,3-tetramethyl-4-[[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]pyrazol-5-amine is Cc1nn(C)c(N(C)C)c1CNCc1ccc([C@@H]2C[C@@H]2C)o1.
What is the InChIKey of N,N,1,3-tetramethyl-4-[[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]pyrazol-5-amine?
The InChIKey is WVKFLIZZYBWUEQ-SMDDNHRTSA-N. The full InChI is InChI=1S/C17H26N4O/c1-11-8-14(11)16-7-6-13(22-16)9-18-10-15-12(2)19-21(5)17(15)20(3)4/h6-7,11,14,18H,8-10H2,1-5H3/t11-,14+/m0/s1.
What are the key properties of N,N,1,3-tetramethyl-4-[[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]pyrazol-5-amine?
N,N,1,3-tetramethyl-4-[[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]pyrazol-5-amine has a molecular weight of 302.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3-tetramethyl-4-[[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylamino]methyl]pyrazol-5-amine is sourced from PubChem (CID 94823229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).